N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide

C12H14N4O — CID 63234213

IUPACN-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]c1)c1ccc(N)cc1
InChIInChI=1S/C12H14N4O/c1-2-16(11-5-3-10(13)4-6-11)12(17)9-7-14-15-8-9/h3-8H,2,13H2,1H3,(H,14,15)
InChIKeyYVBLXIMNWWODAG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.66
Rot. Bonds3

About N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide

N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide (PubChem CID 63234213) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide
PubChem CID63234213
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]c1)c1ccc(N)cc1
InChIInChI=1S/C12H14N4O/c1-2-16(11-5-3-10(13)4-6-11)12(17)9-7-14-15-8-9/h3-8H,2,13H2,1H3,(H,14,15)
InChIKeyYVBLXIMNWWODAG-UHFFFAOYSA-N
XLogP1.66
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085264
N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 63085420
N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 63230213
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645
N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085431
N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157522
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821
N-(4-aminophenyl)-N-ethyl-2,6-dimethylpyridine-3-carboxamide
CID 63234084
N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide
CID 104669257
N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
CID 78975317
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471
N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide
CID 78969627

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide (CID 63234213) is N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide is CCN(C(=O)c1cn[nH]c1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide?
The InChIKey is YVBLXIMNWWODAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-16(11-5-3-10(13)4-6-11)12(17)9-7-14-15-8-9/h3-8H,2,13H2,1H3,(H,14,15).
What are the key properties of N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide?
N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63234213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).